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DocumentationIdentifier: MM285446
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM285446 |
| SMILES |
C#CC=CC=C(F)C#CC
|
| InChIKey |
ULIMCXWZGOMMFU-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159879
Similarity: 0.9367
Similarity to MM159879
| Tanimoto metric | 0.9367 |
|---|---|
| Cosine metric | 0.9678 |
| Dice metric | 0.9673 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM371755
Similarity: 0.8765
Similarity to MM371755
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9349 |
| Dice metric | 0.9342 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361181
Similarity: 0.8605
Similarity to MM361181
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9251 |
| Dice metric | 0.925 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+692 more
